Vitas-M small molecule compound

propyl 4-(4-bromophenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK027639
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H25BrClNO3 MW 514.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrClNO3/c1-3-12-32-26(31)23-15(2)29-21-13-18(16-6-10-20(28)11-7-16)14-22(30)25(21)24(23)17-4-8-19(27)9-5-17/h4-11,18,24,29H,3,12-14H2,1-2H3
InChIKey
RIXJYSLSUUMODO-UHFFFAOYSA-N
Synonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)c1ccc(cc1)Cl
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)Br)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
propyl4(4bromophenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4bromophenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
Registry IDs
MFCD01471072
ZINC000002061987
ZINC000002061990

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.